CID 33660

3,5-diethylphenol

Structural Information

Molecular Formula
C10H14O
SMILES
CCC1=CC(=CC(=C1)O)CC
InChI
InChI=1S/C10H14O/c1-3-8-5-9(4-2)7-10(11)6-8/h5-7,11H,3-4H2,1-2H3
InChIKey
LPCJHUPMQKSPDC-UHFFFAOYSA-N
Compound name
3,5-diethylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1725
Patents

150.10446 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.11174 130.9
[M+Na]+ 173.09368 139.5
[M-H]- 149.09718 133.8
[M+NH4]+ 168.13828 152.2
[M+K]+ 189.06762 137.0
[M+H-H2O]+ 133.10172 126.0
[M+HCOO]- 195.10266 154.0
[M+CH3COO]- 209.11831 176.0
[M+Na-2H]- 171.07913 136.9
[M]+ 150.10391 131.6
[M]- 150.10501 131.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe